2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene-8-sulfonyl fluoride

C20H33FO2S — CID 91358818

IUPAC2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene-8-sulfonyl fluoride
SMILESCC(C)=CCCC(C)=CCC(C=C(C)CCC=C(C)C)S(=O)(=O)F
InChIInChI=1S/C20H33FO2S/c1-16(2)9-7-11-18(5)13-14-20(24(21,22)23)15-19(6)12-8-10-17(3)4/h9-10,13,15,20H,7-8,11-12,14H2,1-6H3
InChIKeyDYTWYDKPFBPZPO-UHFFFAOYSA-N
MW356.55 g/mol
LogP6.43
Rot. Bonds10

About 2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene-8-sulfonyl fluoride

2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene-8-sulfonyl fluoride (PubChem CID 91358818) has the molecular formula C20H33FO2S and a molecular weight of 356.55 g/mol. Its IUPAC name is 2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene-8-sulfonyl fluoride.

Molecular Properties

Compound Name2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene-8-sulfonyl fluoride
PubChem CID91358818
Molecular FormulaC20H33FO2S
Molecular Weight356.55 g/mol
Exact Mass356.22
IUPAC Name2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene-8-sulfonyl fluoride
SMILESCC(C)=CCCC(C)=CCC(C=C(C)CCC=C(C)C)S(=O)(=O)F
InChIInChI=1S/C20H33FO2S/c1-16(2)9-7-11-18(5)13-14-20(24(21,22)23)15-19(6)12-8-10-17(3)4/h9-10,13,15,20H,7-8,11-12,14H2,1-6H3
InChIKeyDYTWYDKPFBPZPO-UHFFFAOYSA-N
XLogP6.43
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.55
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene-8-sulfonyl fluoride?
The IUPAC name of 2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene-8-sulfonyl fluoride (CID 91358818) is 2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene-8-sulfonyl fluoride.
What is the SMILES notation for 2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene-8-sulfonyl fluoride?
The canonical SMILES for 2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene-8-sulfonyl fluoride is CC(C)=CCCC(C)=CCC(C=C(C)CCC=C(C)C)S(=O)(=O)F.
What is the InChIKey of 2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene-8-sulfonyl fluoride?
The InChIKey is DYTWYDKPFBPZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33FO2S/c1-16(2)9-7-11-18(5)13-14-20(24(21,22)23)15-19(6)12-8-10-17(3)4/h9-10,13,15,20H,7-8,11-12,14H2,1-6H3.
What are the key properties of 2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene-8-sulfonyl fluoride?
2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene-8-sulfonyl fluoride has a molecular weight of 356.55 g/mol, XLogP of 6.43, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene-8-sulfonyl fluoride is sourced from PubChem (CID 91358818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).